3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate

C142H142ClF15N32O11S — CID 159980606

IUPAC3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)cn1.COC(=O)CNc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncc(C#N)c3)nn2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CCCC(C)(C)C)c4OC)ccc3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1
InChIInChI=1S/C31H34F3N5O3.C29H27F3N6O2.C28H27ClF3N7O2.C28H28F3N7O3S.C26H26F3N7O/c1-19-9-10-21(14-27(19)39-18-26(37-38-39)22-13-24(41-5)17-35-16-22)29(40)36-25-15-23(31(32,33)34)12-20(28(25)42-6)8-7-11-30(2,3)4;1-17(2)5-7-20-10-23(29(30,31)32)12-24(27(20)40-4)35-28(39)21-8-6-18(3)26(11-21)38-16-25(36-37-38)22-9-19(13-33)14-34-15-22;1-15(2)5-7-18-9-21(11-22(25(18)29)28(30,31)32)36-26(41)19-8-6-16(3)24(10-19)39-14-23(37-38-39)20-12-33-27(34-13-20)35-17(4)40;1-17-5-6-19(11-23(17)38-16-22(35-36-38)24-13-32-27(42-24)33-14-25(39)41-2)26(40)34-21-10-18(15-37-7-3-4-8-37)9-20(12-21)28(29,30)31;1-17-5-6-19(11-24(17)36-16-23(32-33-36)20-13-30-34(2)15-20)25(37)31-22-10-18(14-35-7-3-4-8-35)9-21(12-22)26(27,28)29/h9-10,12-18H,7-8,11H2,1-6H3,(H,36,40);6,8-12,14-17H,5,7H2,1-4H3,(H,35,39);6,8-15H,5,7H2,1-4H3,(H,36,41)(H,33,34,35,40);5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H,32,33)(H,34,40);5-6,9-13,15-16H,3-4,7-8,14H2,1-2H3,(H,31,37)
InChIKeyOFSIYWDGWSYVNQ-UHFFFAOYSA-N
MW2825.40 g/mol
LogP30.17
Rot. Bonds40

About 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate

3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate (PubChem CID 159980606) has the molecular formula C142H142ClF15N32O11S and a molecular weight of 2825.40 g/mol. Its IUPAC name is 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate.

Molecular Properties

Compound Name3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate
PubChem CID159980606
Molecular FormulaC142H142ClF15N32O11S
Molecular Weight2825.40 g/mol
Exact Mass2823.07
IUPAC Name3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)cn1.COC(=O)CNc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncc(C#N)c3)nn2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CCCC(C)(C)C)c4OC)ccc3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1
InChIInChI=1S/C31H34F3N5O3.C29H27F3N6O2.C28H27ClF3N7O2.C28H28F3N7O3S.C26H26F3N7O/c1-19-9-10-21(14-27(19)39-18-26(37-38-39)22-13-24(41-5)17-35-16-22)29(40)36-25-15-23(31(32,33)34)12-20(28(25)42-6)8-7-11-30(2,3)4;1-17(2)5-7-20-10-23(29(30,31)32)12-24(27(20)40-4)35-28(39)21-8-6-18(3)26(11-21)38-16-25(36-37-38)22-9-19(13-33)14-34-15-22;1-15(2)5-7-18-9-21(11-22(25(18)29)28(30,31)32)36-26(41)19-8-6-16(3)24(10-19)39-14-23(37-38-39)20-12-33-27(34-13-20)35-17(4)40;1-17-5-6-19(11-23(17)38-16-22(35-36-38)24-13-32-27(42-24)33-14-25(39)41-2)26(40)34-21-10-18(15-37-7-3-4-8-37)9-20(12-21)28(29,30)31;1-17-5-6-19(11-24(17)36-16-23(32-33-36)20-13-30-34(2)15-20)25(37)31-22-10-18(14-35-7-3-4-8-35)9-21(12-22)26(27,28)29/h9-10,12-18H,7-8,11H2,1-6H3,(H,36,40);6,8-12,14-17H,5,7H2,1-4H3,(H,35,39);6,8-15H,5,7H2,1-4H3,(H,36,41)(H,33,34,35,40);5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H,32,33)(H,34,40);5-6,9-13,15-16H,3-4,7-8,14H2,1-2H3,(H,31,37)
InChIKeyOFSIYWDGWSYVNQ-UHFFFAOYSA-N
XLogP30.17
TPSA506.71 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.40
LogP ≤ 530.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Analyze 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate with MolForge

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Related Compounds

1-[3-tert-butyl-5-(3-methylbutyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;N-[5-[1-[5-[2-[3-tert-butyl-5-(3-methylbutyl)phenyl]-2-oxoethyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide;1-[3-tert-butyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]-1-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]-1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone
CID 157079874
3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 157995985
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1-methylimidazol-2-yl]carbamate
CID 158440434
1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;methyl N-[5-[1-[2-methyl-5-[2-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 158761299
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 158835387
N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 159128488
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 160702874
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[5-tert-butyl-2-methoxy-3-[methyl(prop-2-enyl)amino]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-[2-(dimethylamino)ethylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 161166331
N-[3-(azetidin-1-ylmethyl)-5-tert-butylphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(pyrrolidin-1-ylmethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-butyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 161323110
1-[3-tert-butyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;N-[5-[1-[5-[2-[3-tert-butyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide;1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone
CID 162046599
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 162169897

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate?
The IUPAC name of 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate (CID 159980606) is 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate.
What is the SMILES notation for 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate?
The canonical SMILES for 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate is CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)cn1.COC(=O)CNc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncc(C#N)c3)nn2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CCCC(C)(C)C)c4OC)ccc3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1.
What is the InChIKey of 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate?
The InChIKey is OFSIYWDGWSYVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O3.C29H27F3N6O2.C28H27ClF3N7O2.C28H28F3N7O3S.C26H26F3N7O/c1-19-9-10-21(14-27(19)39-18-26(37-38-39)22-13-24(41-5)17-35-16-22)29(40)36-25-15-23(31(32,33)34)12-20(28(25)42-6)8-7-11-30(2,3)4;1-17(2)5-7-20-10-23(29(30,31)32)12-24(27(20)40-4)35-28(39)21-8-6-18(3)26(11-21)38-16-25(36-37-38)22-9-19(13-33)14-34-15-22;1-15(2)5-7-18-9-21(11-22(25(18)29)28(30,31)32)36-26(41)19-8-6-16(3)24(10-19)39-14-23(37-38-39)20-12-33-27(34-13-20)35-17(4)40;1-17-5-6-19(11-23(17)38-16-22(35-36-38)24-13-32-27(42-24)33-14-25(39)41-2)26(40)34-21-10-18(15-37-7-3-4-8-37)9-20(12-21)28(29,30)31;1-17-5-6-19(11-24(17)36-16-23(32-33-36)20-13-30-34(2)15-20)25(37)31-22-10-18(14-35-7-3-4-8-35)9-21(12-22)26(27,28)29/h9-10,12-18H,7-8,11H2,1-6H3,(H,36,40);6,8-12,14-17H,5,7H2,1-4H3,(H,35,39);6,8-15H,5,7H2,1-4H3,(H,36,41)(H,33,34,35,40);5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H,32,33)(H,34,40);5-6,9-13,15-16H,3-4,7-8,14H2,1-2H3,(H,31,37).
What are the key properties of 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate?
3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate has a molecular weight of 2825.40 g/mol, XLogP of 30.17, 40 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate is sourced from PubChem (CID 159980606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).